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Crystal structure of amycolatopsis cytochrome P450 gcoa in complex with vanillin.
Analyse Crystal structure of amycolatopsis cytochrome P450 gcoa in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5OMR
- Type
- protein
- Length
- 403 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gcoa
- Ligands
- HEM, V55
- Pockets
- 5 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gcoa | protein | 403 | 57% helix, 11% strand | — |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- V55 · 4-hydroxy-3-methoxybenzaldehyde · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 376 | 0.86 | 0.94 | 45 | HEM, V55 |
| 2 | 73 | 0.39 | 0.78 | 23 | empty |
| 3 | 90 | 0.38 | 0.77 | 14 | empty |
| 4 | 60 | 0.35 | 0.77 | 13 | empty |
| 5 | 72 | 0.31 | 0.74 | 13 | empty |
Compared structures
- 5OMR · Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with vanillin. · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 5OMR · PDBe 5OMR
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